Geometry & MOs

Info

ID:	186674
PubChem CID:	77465430
Reduced:	N5O7C47H73 (1)
Stoich.:	A5B7C47D73 (1)
Weight, g/mol:	259.129632
ΔH_f, kcal/mol:	-386.06
Dipole, Da:	6.96
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-4-methylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrazine

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCNC(=O)CCC(=O)NC(CC(=O)N)C(=O)NCC(=O)NC5=CC=C(C=C5)CO)C)C

DOS

IR

Vibrations