Geometry & MOs

Info

ID:	216762
PubChem CID:	85086739
Reduced:	N2O5H12C15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	3.56
IP(EA), eV:	-9.36(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)pyrazolidin-3-yl]amino]ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CNC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=C1

DOS

IR

Vibrations