Geometry & MOs

Info

ID:	311549
PubChem CID:	126593790
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	187.110947
ΔH_f, kcal/mol:	34.93
Dipole, Da:	4.33
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-1H-2,4-benzodiazepin-5-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CC(=C1)C(C)C)C(=NC=C)N

DOS

IR

Vibrations