Geometry & MOs

Info

ID:	350195
PubChem CID:	127277273
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	308.167083
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	6.47
IP(EA), eV:	-8.16(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[cyclopropyl(methyl)amino]propyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1=CN=C(C=C1)N2CCOCC2)N(C)C3CC3

DOS

IR

Vibrations