Geometry & MOs

Info

ID:	122026
PubChem CID:	50790187
Reduced:	ON3H23C26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	67.11
Dipole, Da:	5.2
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N3C=CC=C3C(N1C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations