Geometry & MOs

Info

ID:	364415
PubChem CID:	127315654
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	5.28
IP(EA), eV:	-8.6(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=NNC(=C2)C)C

DOS

IR

Vibrations