Geometry & MOs

Info

ID:	162237
PubChem CID:	57394022
Reduced:	ClO2N5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	6.18
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1C2=C(N=C1NCCC3=CC(=CC=C3)Cl)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations