Geometry & MOs

Info

ID:	122021
PubChem CID:	50790167
Reduced:	ON3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	423.194677
ΔH_f, kcal/mol:	18.58
Dipole, Da:	5.87
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-N-phenyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=CC=CC=C3CN1C(=O)NC4=CC=CC5=C4CCCC5

DOS

IR

Vibrations