Geometry & MOs

Info

ID:	46022
PubChem CID:	10520518
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	0.91
IP(EA), eV:	-9.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazolin-4-yl]amino]ethanol

Drug info:

PubChemData

Smile

C[C@](CNN1C(=O)C2=CC=CC=C2N=C1[C@H](C(C)(C)C)O)(C=C)O

DOS

IR

Vibrations