Geometry & MOs

Info

ID:	44163
PubChem CID:	10501231
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	401.235479
ΔH_f, kcal/mol:	105.12
Dipole, Da:	7.95
IP(EA), eV:	-9.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,6R,9S,11R)-6-benzyl-2,12,12-trimethyl-4-phenyl-3-oxa-8-azatetracyclo[9.1.1.02,9.04,8]tridecan-7-one

Drug info:

PubChemData

Smile

CCCCN1C(=C(C=N1)C(=O)N)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4

DOS

IR

Vibrations