Geometry & MOs

Info

ID:	177620
PubChem CID:	76204278
Reduced:	NO3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	-102.71
Dipole, Da:	4.19
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxypropyl)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N(CCCO)C(=O)C=CC1=CC=CO1

DOS

IR

Vibrations