Geometry & MOs

Info

ID:	216976
PubChem CID:	85087064
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-185.65
Dipole, Da:	3.53
IP(EA), eV:	-9.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)butyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C=CC(C(=O)OC)OC)C(C1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations