Geometry & MOs

Info

ID:	190231
PubChem CID:	77973360
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	544.200796
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	5.02
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[N-[[5-chloro-2-(oxan-2-ylmethoxy)phenyl]methylamino]-C-prop-1-enylcarbonimidoyl]-4-[(4-chlorophenyl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC=CC(=NC(=O)C1=CC=C(C=C1)CN2CCOCC2)NNCC3=C(C=CC(=C3)Cl)OCC(C)C

DOS

IR

Vibrations