Geometry & MOs

Info

ID:	33574
PubChem CID:	7887042
Reduced:	N5O5C20H23 (1)
Stoich.:	A5B5C20D23 (1)
Weight, g/mol:	404.125133
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	4.22
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2C(=O)N(C(=O)N(C2=O)CC=C)CC=C)C

DOS

IR

Vibrations