Geometry & MOs

Info

ID:	336267
PubChem CID:	127255274
Reduced:	NOC5H7 (4)
Stoich.:	ABC5D7 (4)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-146.22
Dipole, Da:	4.66
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-(1-methylpyrazol-4-yl)-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations