Geometry & MOs

Info

ID:	354616
PubChem CID:	127287233
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	6.59
IP(EA), eV:	-8.62(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)NCC(C)N(C)C3CC3)C

DOS

IR

Vibrations