Geometry & MOs

Info

ID:	193873
PubChem CID:	78449996
Reduced:	N6O7C24H27 (1)
Stoich.:	A6B7C24D27 (1)
Weight, g/mol:	372.217483
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752315
Charge, e:	-1

Chem-info

IUPAC name:

2-[[7-[1-(cyclopentylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate

Drug info:

PubChemData

Smile

C1CN(C(CC1NC(=O)C2=NC=CN=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N)C(=O)COCC(=O)[O-]

DOS

IR

Vibrations