Geometry & MOs

Info

ID:	415000
PubChem CID:	135087980
Reduced:	ClN5C19H26 (1)
Stoich.:	AB5C19D26 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	41.57
Dipole, Da:	3.35
IP(EA), eV:	-8.65(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,4-dimethylphenyl)ethylamino]pyridin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1CN2CCCC3(C2)CCC4=CN=C(N=C34)C)Cl)C

DOS

IR

Vibrations