Geometry & MOs

Info

ID:	362937
PubChem CID:	127309943
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	2.92
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)NCC2=CC(=CC=C2)COC3CCOCC3

DOS

IR

Vibrations