Geometry & MOs

Info

ID:	438548
PubChem CID:	135228291
Reduced:	O2N6H24C27 (1)
Stoich.:	A2B6C24D27 (1)
Weight, g/mol:	373.138619
ΔH_f, kcal/mol:	161.68
Dipole, Da:	2.94
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-6-amino-5-(1-amino-2-ethoxy-2-oxoethylidene)-8-methoxy-4H-imidazo[1,5-a][1,5]benzodiazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=C3CN4C(N(N=C4C5=C(N3C=N2)C=CC(=C5)C#C)C)COCC6=CC=CC=C6

DOS

IR

Vibrations