Geometry & MOs

Info

ID:	17076
PubChem CID:	483229
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	3.02
IP(EA), eV:	-8.63(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N

DOS

IR

Vibrations