Geometry & MOs

Info

ID:	130384
PubChem CID:	51075788
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	3.76
IP(EA), eV:	-9.18(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCCC2C1CCCC2

DOS

IR

Vibrations