Geometry & MOs

Info

ID:	370409
PubChem CID:	127338481
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-110.34
Dipole, Da:	3.81
IP(EA), eV:	-9.31(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)NC3CC4CCC3C4

DOS

IR

Vibrations