Geometry & MOs

Info

ID:	368900
PubChem CID:	127330908
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	3.54
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)N3CCC(CC3)NC(=O)C4CC4

DOS

IR

Vibrations