Geometry & MOs

Info

ID:	419643
PubChem CID:	135108617
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	378.166746
ΔH_f, kcal/mol:	11.07
Dipole, Da:	0.8
IP(EA), eV:	-8.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(pyridin-4-ylmethyl)-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(CC2)N3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations