Geometry & MOs

Info

ID:	354541
PubChem CID:	127287155
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	381.10519
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	6.21
IP(EA), eV:	-9.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclobutyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)NCC3=NC(=NO3)C

DOS

IR

Vibrations