Geometry & MOs

Info

ID:	349294
PubChem CID:	127275081
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	2.11
IP(EA), eV:	-8.46(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N2CCCC2C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations