Geometry & MOs

Info

ID:	449721
PubChem CID:	135300942
Reduced:	NOC21H25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	476.301208
ΔH_f, kcal/mol:	21.18
Dipole, Da:	1.89
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[[5-[3-(diethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-3,10,12,14-tetrazatricyclo[8.7.0.011,16]heptadeca-1(17),11,13,15-tetraen-2-one

Drug info:

PubChemData

Smile

CC(CN(CC1=CC=C(C=C1)C=C)CC2=CC=C(C=C2)C=C)O

DOS

IR

Vibrations