Geometry & MOs

Info

ID:	223994
PubChem CID:	85336701
Reduced:	NO6C24H33 (1)
Stoich.:	AB6C24D33 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-143.33
Dipole, Da:	4.14
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-[N'-(1-naphthalen-2-ylethyl)carbamimidoyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3C(=NOCC(=O)OC)C=C2C1)CCC4=O)C)C

DOS

IR

Vibrations