Geometry & MOs

Info

ID:	290661
PubChem CID:	109816989
Reduced:	O3N5C19H37 (1)
Stoich.:	A3B5C19D37 (1)
Weight, g/mol:	370.198046
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	2.2
IP(EA), eV:	-9.22(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(1-propanoylpyrrolidin-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC(CC(C)C)NC(=O)OCC)NCC

DOS

IR

Vibrations