Geometry & MOs

Info

ID:	364427
PubChem CID:	127315679
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	292.226312
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	5.18
IP(EA), eV:	-8.72(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2(CCCCC2)NC(=O)C)C

DOS

IR

Vibrations