Geometry & MOs

Info

ID:	354025
PubChem CID:	127285682
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	357.166411
ΔH_f, kcal/mol:	-171.72
Dipole, Da:	3.39
IP(EA), eV:	-8.64(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)NCC(C)(C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations