Geometry & MOs

Info

ID:	415191
PubChem CID:	135088182
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	319.157915
ΔH_f, kcal/mol:	-137.05
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=NN(C4=CC=CC=C43)C)O

DOS

IR

Vibrations