Geometry & MOs

Info

ID:	369350
PubChem CID:	127332378
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-154.67
Dipole, Da:	2.1
IP(EA), eV:	-9.42(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)OCCNC(=O)NC2CCCCNC2=O

DOS

IR

Vibrations