Geometry & MOs

Info

ID:	429365
PubChem CID:	135169388
Reduced:	BrC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	334.110613
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	2.91
IP(EA), eV:	-10.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

Drug info:

PubChemData

Smile

CC1(CCCCCCC(CCC1)C(C)(C)C)Br

DOS

IR

Vibrations