Geometry & MOs

Info

ID:	233880
PubChem CID:	92126161
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-9.62
Dipole, Da:	2.75
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)NCC4=CC=CS4

DOS

IR

Vibrations