Geometry & MOs

Info

ID:	369025
PubChem CID:	127331131
Reduced:	O3N4C16H30 (1)
Stoich.:	A3B4C16D30 (1)
Weight, g/mol:	312.252526
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	2.62
IP(EA), eV:	-8.6(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)N2CCOC(C2)CNC(=O)C

DOS

IR

Vibrations