Geometry & MOs

Info

ID:	179350
PubChem CID:	76469258
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	407.140055
ΔH_f, kcal/mol:	13.77
Dipole, Da:	1.92
IP(EA), eV:	-8.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1OCC2(CC2C(=O)NC3=CC(=CC=C3)N(C)C)C4=CC=CC=C4)C

DOS

IR

Vibrations