Geometry & MOs

Info

ID:	371432
PubChem CID:	127346328
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	393.177645
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	5.12
IP(EA), eV:	-8.34(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)CNC(=O)CC3CCOC3)C

DOS

IR

Vibrations