Geometry & MOs

Info

ID:	166143
PubChem CID:	74642695
Reduced:	O3N6C27H40 (1)
Stoich.:	A3B6C27D40 (1)
Weight, g/mol:	433.182398
ΔH_f, kcal/mol:	-110.09
Dipole, Da:	6.4
IP(EA), eV:	-8.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CCC(=O)NCC3=CC=C(C=C3)N4CCCC4)CC(C)C

DOS

IR

Vibrations