Geometry & MOs

Info

ID:	373723
PubChem CID:	131319297
Reduced:	N4C7H10 (1)
Stoich.:	A4B7C10 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	47.39
Dipole, Da:	3.13
IP(EA), eV:	-9.18(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CC(C#N)N

DOS

IR

Vibrations