Geometry & MOs

Info

ID:	421638
PubChem CID:	135116333
Reduced:	OSN8C14H22 (1)
Stoich.:	ABC8D14E22 (1)
Weight, g/mol:	356.14601
ΔH_f, kcal/mol:	65.74
Dipole, Da:	8.81
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NN=NN1CCC(=O)N2CCCN(CC2)CC3=NN=C(S3)C

DOS

IR

Vibrations