Geometry & MOs

Info

ID:	419836
PubChem CID:	135109320
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-43.55
Dipole, Da:	6.18
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CN=CC(=N2)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations