Geometry & MOs

Info

ID:	320598
PubChem CID:	126661960
Reduced:	O2S2N5C23H25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	95.4
Dipole, Da:	0.73
IP(EA), eV:	-7.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-hydroxyethyl)-4-[4-(piperidin-4-ylmethoxy)phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)/C(=C(/C=C)\NC(=O)C3=CSC(=N3)C4=CC=CS4)/C=C

DOS

IR

Vibrations