Geometry & MOs

Info

ID:	362211
PubChem CID:	127307224
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	350.152495
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	4.27
IP(EA), eV:	-9.15(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCCC3

DOS

IR

Vibrations