Geometry & MOs

Info

ID:	421876
PubChem CID:	135116761
Reduced:	N5O5C23H31 (1)
Stoich.:	A5B5C23D31 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-164.75
Dipole, Da:	4.76
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1-(3-methoxyphenyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C

DOS

IR

Vibrations