Geometry & MOs

Info

ID:	243645
PubChem CID:	99233610
Reduced:	N3O5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	415.247107
ΔH_f, kcal/mol:	-232.67
Dipole, Da:	3.6
IP(EA), eV:	-9.23(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)[C@H]2CCCN2C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations