Geometry & MOs

Info

ID:	364482
PubChem CID:	127315734
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	0.31
Dipole, Da:	4.44
IP(EA), eV:	-8.47(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CN3C=CC(=CC3=N2)C)C

DOS

IR

Vibrations