Geometry & MOs

Info

ID:	419513
PubChem CID:	135108333
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	4.95
IP(EA), eV:	-9.02(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)amino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CN(CCO)CC1=CN=CN1C)/C)C

DOS

IR

Vibrations