Geometry & MOs

Info

ID:	129859
PubChem CID:	51074070
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-83.17
Dipole, Da:	4.23
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CN(C)C(=O)C3=NN(C(=O)C=C3)CCOC

DOS

IR

Vibrations