Geometry & MOs

Info

ID:	233879
PubChem CID:	92126159
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	3.6
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-(thiophen-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)NC4=CC=CS4

DOS

IR

Vibrations