Geometry & MOs

Info

ID:	351543
PubChem CID:	127280431
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	5.01
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCN(CC1)C(=O)CN2CCCC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations