Geometry & MOs

Info

ID:	179813
PubChem CID:	76534757
Reduced:	ClNC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	651.282362
ΔH_f, kcal/mol:	-14.69
Dipole, Da:	5.04
IP(EA), eV:	-9.4(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]-N-cyclopropyl-1-[2-[3-[(2-methoxyphenyl)methoxy]propoxy]pyrimidin-5-yl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=CCN(C)C)C1=CC=CC=C1.Cl

DOS

IR

Vibrations