Geometry & MOs

Info

ID:	403542
PubChem CID:	135060760
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	336.151415
ΔH_f, kcal/mol:	-146.52
Dipole, Da:	5.14
IP(EA), eV:	-9.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(10S)-10-phenyl-2-tetracyclo[7.2.1.02,11.03,8]dodeca-3,5,7-trienyl]methanone

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C(=O)N2[C@@H]([C@H]2[C@@H](N1)C(=O)NC(C)(C)C)CC(C)C)O

DOS

IR

Vibrations