Geometry & MOs

Info

ID:	74243
PubChem CID:	48421626
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	3.45
IP(EA), eV:	-9.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations