Geometry & MOs

Info

ID:	189469
PubChem CID:	77861827
Reduced:	INC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	574.290368
ΔH_f, kcal/mol:	34.44
Dipole, Da:	4.38
IP(EA), eV:	-7.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[7-(1-hydroxyethyl)-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl]piperidin-1-yl]-2-oxoethyl]-7-methyl-2-(oxolan-2-yl)-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1C=C2C(=CC1(C)I)C(=CN2)C

DOS

IR

Vibrations