Geometry & MOs

Info

ID:	307621
PubChem CID:	125307782
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(9aR)-6-chloro-1,3,4,9a-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)OC)NC(=O)N1CCC2=C3C=C(C=CC3=N[C@@H]2C1)Cl

DOS

IR

Vibrations