Geometry & MOs

Info

ID:	417067
PubChem CID:	135091245
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	61.33
Dipole, Da:	6.46
IP(EA), eV:	-9.16(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-(2-methoxy-6-methylbenzoyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C2=NC=NC3=C2NC=N3)O)CC4=CC=NC=C4

DOS

IR

Vibrations