Geometry & MOs

Info

ID:	364668
PubChem CID:	127315963
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	4.2
IP(EA), eV:	-8.79(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2COC3=CC=CC=C23)C

DOS

IR

Vibrations