Geometry & MOs

Info

ID:	196706
PubChem CID:	78867353
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	5.25
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C2=CC3=C(O2)C(=CC=C3)OC

DOS

IR

Vibrations