Geometry & MOs

Info

ID:	367583
PubChem CID:	127325045
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	4.44
IP(EA), eV:	-9.03(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-1H-pyrazol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C(=O)NC2CC2

DOS

IR

Vibrations