Geometry & MOs

Info

ID:	304053
PubChem CID:	124491735
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	2.41
IP(EA), eV:	-8.88(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CCCCCC[C@@H](C1=CC=C(O1)C)N

DOS

IR

Vibrations