Geometry & MOs

Info

ID:	348173
PubChem CID:	127273235
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	399.175833
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	5.57
IP(EA), eV:	-9.28(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-difluorobenzoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)NCC2CCOCC2)C

DOS

IR

Vibrations