Geometry & MOs

Info

ID:	64915
PubChem CID:	29204194
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	19.42
Dipole, Da:	9.86
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations