Geometry & MOs

Info

ID:	360225
PubChem CID:	127300868
Reduced:	OSN6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	60.3
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations