Geometry & MOs

Info

ID:	392918
PubChem CID:	135018455
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	3.6
IP(EA), eV:	-9.68(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[(2,6-dimethylpyrimidin-4-yl)-prop-2-enylamino]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C=C)C(C(C)C)O

DOS

IR

Vibrations