Geometry & MOs

Info

ID:	287714
PubChem CID:	104252660
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-91.24
Dipole, Da:	2.27
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC3=C(S2)C(CCC3)O

DOS

IR

Vibrations