Geometry & MOs

Info

ID:	126474
PubChem CID:	50966287
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	5.21
IP(EA), eV:	-8.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopropyl-(3-methylpyridin-2-yl)methyl]amino]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1O)NC(=O)CC2C3=CC=CC=C3OCCCN4C=CN=C4

DOS

IR

Vibrations