Geometry & MOs

Info

ID:	176710
PubChem CID:	76085030
Reduced:	O3N5F6C27H31 (1)
Stoich.:	A3B5C6D27E31 (1)
Weight, g/mol:	280.109089
ΔH_f, kcal/mol:	-328.45
Dipole, Da:	4.23
IP(EA), eV:	-9.42(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-N-(diaminomethylidene)-1-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NN=NC3(CCOC)CN)C4=CC=CC=C4

DOS

IR

Vibrations