Geometry & MOs

Info

ID:	27465
PubChem CID:	821459
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-148.7
Dipole, Da:	4.55
IP(EA), eV:	-9.97(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-phenyl-4-piperidin-1-ylquinazoline

Drug info:

PubChemData

Smile

C[C@@]12CCC(=O)C[C@@H]1CC[C@H]3[C@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C(=O)OC)C

DOS

IR

Vibrations