Geometry & MOs

Info

ID:	187505
PubChem CID:	77581642
Reduced:	FO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	7.11
IP(EA), eV:	-9.16(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-chloro-6-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1NC2=NC=C(N=C2)C=CC(=O)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations