Geometry & MOs

Info

ID:	206984
PubChem CID:	80328389
Reduced:	ClO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	254.118591
ΔH_f, kcal/mol:	-41.26
Dipole, Da:	5.66
IP(EA), eV:	-9.01(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloropyridin-4-yl)methyl]-2-(cyclopropylmethoxy)-N-methylethanamine

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations