Geometry & MOs

Info

ID:	353956
PubChem CID:	127285596
Reduced:	O2N3C17H31 (1)
Stoich.:	A2B3C17D31 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	4.53
IP(EA), eV:	-9.0(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CNC(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations