Geometry & MOs

Info

ID:	179672
PubChem CID:	76518315
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	4.1
IP(EA), eV:	-8.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2CC(CC2C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)OC

DOS

IR

Vibrations