Geometry & MOs

Info

ID:	168956
PubChem CID:	75045435
Reduced:	O3N5C37H51 (1)
Stoich.:	A3B5C37D51 (1)
Weight, g/mol:	424.212885
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-(2,6-dimethylmorpholin-4-yl)propoxy]-1-(3-cyclopentyloxy-4-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC1CC(C(N(C1)C(=O)CN2CCN(CC2)C3=NC=CN=C3)C(C)C4=C(C5=C(C=C4)C6CC=C7CC(CCC7(C6C5)C)O)C)O

DOS

IR

Vibrations