Geometry & MOs

Info

ID:	205627
PubChem CID:	80128714
Reduced:	SN2O2C9H14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	-81.08
Dipole, Da:	1.72
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC(=O)O)C(C)C

DOS

IR

Vibrations