Geometry & MOs

Info

ID:	369438
PubChem CID:	127333382
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-43.58
Dipole, Da:	2.67
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

DOS

IR

Vibrations