Geometry & MOs

Info

ID:	362397
PubChem CID:	127307742
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	20.92
Dipole, Da:	1.32
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CN=C(N3)C

DOS

IR

Vibrations