Geometry & MOs

Info

ID:	152768
PubChem CID:	56311834
Reduced:	N4O4C27H34 (1)
Stoich.:	A4B4C27D34 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-144.3
Dipole, Da:	7.13
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations