Geometry & MOs

Info

ID:	418977
PubChem CID:	135107242
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	4.57
IP(EA), eV:	-8.94(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-hydroxyphenyl)phenyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CN2C[C@H]([C@H](C2)OC)CC3=CC(=NO3)C

DOS

IR

Vibrations