Geometry & MOs

Info

ID:	395155
PubChem CID:	135024789
Reduced:	IN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	0.98
IP(EA), eV:	-9.07(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-9-(4-methoxyphenyl)-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

Drug info:

PubChemData

Smile

C1CCC(C1)CCOC2=C(C=NN(C2=O)CC3CC3)I

DOS

IR

Vibrations