Geometry & MOs

Info

ID:	233878
PubChem CID:	92126158
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	3.59
IP(EA), eV:	-8.44(-0.07)
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-ylurea

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations