Geometry & MOs

Info

ID:	75641
PubChem CID:	48423779
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	3.1
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(cyclopropylmethoxy)propanoyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations