Geometry & MOs

Info

ID:	924
PubChem CID:	3539
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	0.64
Dipole, Da:	2.36
IP(EA), eV:	-8.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline

Drug info:

PubChemData

Smile

CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3

DOS

IR

Vibrations