Geometry & MOs

Info

ID:	169652
PubChem CID:	75131803
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	467.335922
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	3.59
IP(EA), eV:	-8.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(2-morpholin-4-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(C(CC1CC2=NN=C(O2)C)C(C)C)CNC3=CN=C(C=C3)NC(=O)C

DOS

IR

Vibrations