Geometry & MOs

Info

ID:	165389
PubChem CID:	74545079
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	505.178376
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	4.44
IP(EA), eV:	-9.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[(2-methoxynaphthalen-1-yl)methyl]-5-(thiophen-2-ylmethylcarbamoyl)pyrrolidin-3-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)N1)C)CCC2=NC(=NO2)C3=C4CCNCC4=CN=C3C

DOS

IR

Vibrations