Geometry & MOs

Info

ID:	363625
PubChem CID:	127311726
Reduced:	ClO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	353.24269
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	5.78
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl)C3CC3

DOS

IR

Vibrations