Geometry & MOs

Info

ID:	415176
PubChem CID:	135088167
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-153.83
Dipole, Da:	4.74
IP(EA), eV:	-9.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=C(ON=C3)C4=CC=CC=C4)OC[C@@H]1O)O

DOS

IR

Vibrations