Geometry & MOs

Info

ID:	349327
PubChem CID:	127275114
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	2.79
IP(EA), eV:	-8.48(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC=C(C)C

DOS

IR

Vibrations