Geometry & MOs

Info

ID:	366853
PubChem CID:	127320541
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	5.98
IP(EA), eV:	-9.53(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylazepan-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)CN2CCC(=O)NC2=O

DOS

IR

Vibrations