Geometry & MOs

Info

ID:	363627
PubChem CID:	127311728
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	322.236876
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	4.17
IP(EA), eV:	-8.23(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3CCN(CC3)C(=O)NCCN(C)C4CC4

DOS

IR

Vibrations