Geometry & MOs

Info

ID:	175284
PubChem CID:	75878719
Reduced:	N4O5H18C19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-123.15
Dipole, Da:	3.4
IP(EA), eV:	-9.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-4-methylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C=N2)C(=O)NCC(=O)NCCNC(=O)C3=CC=CO3

DOS

IR

Vibrations