Geometry & MOs

Info

ID:	210760
PubChem CID:	80852680
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	333.98878
ΔH_f, kcal/mol:	-45.21
Dipole, Da:	2.22
IP(EA), eV:	-8.73(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-bromothiophen-2-yl)methyl]quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NC(C)CCCO)C)NC

DOS

IR

Vibrations