Geometry & MOs

Info

ID:	285173
PubChem CID:	104098470
Reduced:	O2N6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	84.45
Dipole, Da:	4.91
IP(EA), eV:	-9.68(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]cyclopropyl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NCCN2C=CN=N2)[N+](=O)[O-]

DOS

IR

Vibrations