Geometry & MOs

Info

ID:	199741
PubChem CID:	79290606
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	3.73
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methyl-3,5-dihydro-2H-pyrido[3,4-b][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2C(=O)NC3=C(N2)C=CN=C3)O

DOS

IR

Vibrations