Geometry & MOs

Info

ID:	364421
PubChem CID:	127315660
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	3.98
IP(EA), eV:	-8.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=NOC3=C2CCCC3)C

DOS

IR

Vibrations