Geometry & MOs

Info

ID:	362913
PubChem CID:	127309751
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	12.3
Dipole, Da:	5.78
IP(EA), eV:	-9.03(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-ylmethyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(C)C(=O)NCC2CCC3=CC=CC=C23

DOS

IR

Vibrations