Geometry & MOs

Info

ID:	364130
PubChem CID:	127314303
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	5.29
IP(EA), eV:	-9.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations