Geometry & MOs

Info

ID:	422800
PubChem CID:	135118429
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	17.49
Dipole, Da:	6.13
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxyphenyl)-[(1S,5S)-7-[(2-methylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=C(N=CN=C3C)C

DOS

IR

Vibrations