Geometry & MOs

Info

ID:	122030
PubChem CID:	50790269
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	5.6
IP(EA), eV:	-8.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)NC5=CC=CC=C5OCC

DOS

IR

Vibrations