Geometry & MOs

Info

ID:	312138
PubChem CID:	126603337
Reduced:	O3N10C33H42 (1)
Stoich.:	A3B10C33D42 (1)
Weight, g/mol:	254.210661
ΔH_f, kcal/mol:	40.72
Dipole, Da:	5.65
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-tert-butylpiperidin-1-yl)-3-oxopropyl]guanidine

Drug info:

PubChemData

Smile

CCOCCN1C=C(C=N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)N[C@H]3CC[C@H](C4=CC=CC=C34)OC5=CN6C(=NN=C6N(C)C)C=C5

DOS

IR

Vibrations