Geometry & MOs

Info

ID:	324078
PubChem CID:	126676886
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	184.132411
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	4.0
IP(EA), eV:	-9.28(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-aminocyclopentyl)-1,2-dihydrotriazol-5-yl]methanol

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CCC3C4=CC=CC=C4

DOS

IR

Vibrations