Geometry & MOs

Info

ID:	175678
PubChem CID:	75934837
Reduced:	O3N5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	473.171749
ΔH_f, kcal/mol:	-21.2
Dipole, Da:	9.28
IP(EA), eV:	-9.43(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[1-[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=CC=C(C=C2)C3NC(=O)ON3

DOS

IR

Vibrations