Geometry & MOs

Info

ID:	153182
PubChem CID:	56312334
Reduced:	O3N5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	4.14
IP(EA), eV:	-8.59(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations