Geometry & MOs

Info

ID:	162276
PubChem CID:	57394161
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	360.12224
ΔH_f, kcal/mol:	15.33
Dipole, Da:	2.14
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzoxazol-2-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

Drug info:

PubChemData

Smile

C1CC12CNC(=O)C3=CC4=C(N3C2)C=C(C=C4)C(=O)NC5=CN=CC=C5

DOS

IR

Vibrations