Geometry & MOs

Info

ID:	169413
PubChem CID:	75101782
Reduced:	N3O3C34H47 (1)
Stoich.:	A3B3C34D47 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	2.2
IP(EA), eV:	-8.08(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-ethylimidazol-2-yl)-3-(3-methoxyphenyl)-3,8-diazatricyclo[6.3.0.01,5]undecan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3CCC(=O)NCCC4=CCCCC4)CC5=CC=CC=C5)OC

DOS

IR

Vibrations