Geometry & MOs

Info

ID:	244700
PubChem CID:	99376447
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	375.139448
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	8.38
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations