Geometry & MOs

Info

ID:	141641
PubChem CID:	52906871
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	51.74
Dipole, Da:	5.52
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)N(CC3=CC=CN3C)C4CC4

DOS

IR

Vibrations