Geometry & MOs

Info

ID:	311670
PubChem CID:	126596855
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	627.194677
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	2.85
IP(EA), eV:	-8.88(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbazol-9-yl-3-[18-(3-cyanocyclohexa-1,3-dien-1-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC2CC(C1)CC(C2)CNCS

DOS

IR

Vibrations