Geometry & MOs

Info

ID:	362936
PubChem CID:	127309942
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-167.71
Dipole, Da:	4.1
IP(EA), eV:	-9.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NCC2=CC(=CC=C2)COC3CCOCC3

DOS

IR

Vibrations