Geometry & MOs

Info

ID:	78439
PubChem CID:	49689638
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	443.205636
ΔH_f, kcal/mol:	-138.11
Dipole, Da:	4.23
IP(EA), eV:	-8.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations