Geometry & MOs

Info

ID:	69323
PubChem CID:	46530685
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-30.39
Dipole, Da:	6.71
IP(EA), eV:	-8.65(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[[(E)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NCC3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations