Geometry & MOs

Info

ID:	43533
PubChem CID:	10321430
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-75.21
Dipole, Da:	2.15
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CCN(C[C@@H]4C(=O)NO)C

DOS

IR

Vibrations