Geometry & MOs

Info

ID:	257219
PubChem CID:	103144455
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	3.43
IP(EA), eV:	-7.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-3-propoxypropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)OCO3)C)N

DOS

IR

Vibrations