Geometry & MOs

Info

ID:	307706
PubChem CID:	125308304
Reduced:	ClN4O4C23H25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	516.203365
ΔH_f, kcal/mol:	-105.23
Dipole, Da:	2.36
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-morpholin-3-yl]methyl N-[4-[[3-[(4-fluorophenyl)methyl]-2H-indazol-6-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)C[C@H](C(=O)O)NC(=O)C[C@@H](CNC(=O)CN)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations