Geometry & MOs

Info

ID:	376254
PubChem CID:	134222264
Reduced:	NC18H21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	463.3239
ΔH_f, kcal/mol:	15.92
Dipole, Da:	2.07
IP(EA), eV:	-7.86(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-ethyl-4,5,6,7,9,10,14,15,17,18,19,20-dodecamethyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C(C(=C(C(=C31)C)C)C)C

DOS

IR

Vibrations