Geometry & MOs

Info

ID:	322714
PubChem CID:	126670870
Reduced:	ClFO3N6H30C32 (1)
Stoich.:	ABC3D6E30F32 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-32.11
Dipole, Da:	5.17
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6R)-3-acetyl-6-methyl-4,6,7,8-tetrahydropyrido[3,4-c]diazepin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H]5CC5C[C@H]4C(=O)NC/C(=C(\C)/C6=CC(=CC=C6)Cl)/F

DOS

IR

Vibrations