Geometry & MOs

Info

ID:	173084
PubChem CID:	75593936
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	28.16
Dipole, Da:	6.52
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3-methoxyphenyl)methyl]-3-phenyl-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C2C=NC(=O)N=C2)N3CCCC3

DOS

IR

Vibrations