Geometry & MOs

Info

ID:	378658
PubChem CID:	134224752
Reduced:	NH21C29 (1)
Stoich.:	AB21C29 (1)
Weight, g/mol:	383.1674
ΔH_f, kcal/mol:	98.08
Dipole, Da:	2.3
IP(EA), eV:	-8.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,15-dimethyl-11-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)C4=C1C=C5C(=C4)C6=C(N5)C=CC7=CC=CC=C76)C

DOS

IR

Vibrations