Geometry & MOs

Info

ID:	414661
PubChem CID:	135087620
Reduced:	ClON4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	5.89
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-prop-2-ynoxyphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)CCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations