Geometry & MOs

Info

ID:	418043
PubChem CID:	135103373
Reduced:	N4C17H30 (1)
Stoich.:	A4B17C30 (1)
Weight, g/mol:	412.129315
ΔH_f, kcal/mol:	4.91
Dipole, Da:	1.94
IP(EA), eV:	-8.59(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CCN(C)C2CCCC2)C(C)C

DOS

IR

Vibrations