Geometry & MOs

Info

ID:	419403
PubChem CID:	135108122
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	23.27
Dipole, Da:	6.32
IP(EA), eV:	-8.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-20-methyl-9-oxa-1,13,14,15,20-pentazatetracyclo[20.3.1.113,16.03,8]heptacosa-3(8),4,6,14,16(27)-pentaene-2,19-dione

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NC(=N2)CCN(C)C3=NC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations