Geometry & MOs

Info

ID:	423339
PubChem CID:	135119330
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-119.4
Dipole, Da:	6.15
IP(EA), eV:	-8.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCCN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations