Geometry & MOs

Info

ID:	187300
PubChem CID:	77556448
Reduced:	SN4O5C20H21 (1)
Stoich.:	AB4C5D20E21 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	5.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765123
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)[N+]1=C2C(C(=C(S2)CN3C4=CC=CC=C4N=C3CO)C(=O)O)C(=O)N(C1=O)C

DOS

IR

Vibrations