Geometry & MOs

Info

ID:	46487
PubChem CID:	10524659
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-145.99
Dipole, Da:	5.27
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)propyl]-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CCC1=C(N2C=CC=C(C2=C1C(=O)C(=O)N)OCC(=O)O)CCC3=CC=CC=C3

DOS

IR

Vibrations